Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-0.3732 6.0026 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1292 4.8541 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7995 3.8887 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 2.6179 -0.6095 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 1.8685 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6349 2.4447 1.5917 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4506 0.5409 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7428 0.5798 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4038 -0.7529 1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2237 -1.5354 2.2827 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1947 -1.1477 0.2841 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8451 -2.3923 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 -3.5237 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8729 -4.3156 -0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4571 -0.5513 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 -0.5718 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5176 0.3438 0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8491 -1.5997 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8852 -1.7846 -1.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2242 -2.0821 -1.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4359 -2.1717 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7791 0.2581 -0.8095 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3024 6.2445 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8694 6.7096 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0309 4.6590 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8806 3.8709 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7865 4.2820 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4705 0.8703 2.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3559 1.3852 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5458 -2.5683 1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4312 -2.4066 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2124 -3.7963 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5735 -4.0061 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2374 -5.1410 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0543 -1.5237 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8340 -0.4295 2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0375 -0.8528 -2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6242 -2.5603 -2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0594 -2.2367 -1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5331 -2.0018 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3649 -2.3771 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3092 0.9086 -1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers